2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H13FN4O2 — CID 135788567

IUPAC2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9-
InChIKeyBFERMMVCYHYVSZ-NVMNQCDNSA-N
MW312.30 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135788567) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135788567
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2ccc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9-
InChIKeyBFERMMVCYHYVSZ-NVMNQCDNSA-N
XLogP2.92
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-methyl-2-[(2E)-2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520020
2-[(2E)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676414
methyl 4-[[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 135675929
6-[(4-Methoxyphenyl)methyl]-3-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-2,5-dihydro-1,2,4-triazin-5-one
CID 135472801
({[5-(4-Fluorophenyl)furan-2-yl]methylidene}amino)urea
CID 9556621
2-((5-(3-Fluorophenyl)furan-2-yl)methylene)hydrazinecarboxamide (4d)
CID 126961623
6-Methyl-2-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-3,4-dihydropyrimidin-4-one
CID 135476878
6-Benzyl-3-[(2E)-2-[(5-methylfuran-2-YL)methylidene]hydrazin-1-YL]-2,5-dihydro-1,2,4-triazin-5-one
CID 135439788
(4Z)-2-[(2E)-2-benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135450762
2-[2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135486527
[[5-(4-Fluorophenyl)furan-2-yl]methylideneamino]urea
CID 779471
5-methyl-6-{[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 3372825

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135788567) is 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C\c2ccc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BFERMMVCYHYVSZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-10-8-15(22)20-16(19-10)21-18-9-13-6-7-14(23-13)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,19,20,21,22)/b18-9-.
What are the key properties of 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 312.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-(4-fluorophenyl)furan-2-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135788567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).